12221 1 2 3 4 5 6 7 17 6 6 6 1 1 1 1 2 2 2 3 4 2 3 5 6 4 7 1 1 1 1 3 1 2 5 10 1 2 3 4 5 6 7 1.8538 0.6334 -0.696 -1.7912 0.7917 0.7918 -2.7626 0.54 -0.7476 -0.1422 0.3498 -1.3646 -1.3646 0.7864 0 0 0.0001 0 -0.8887 0.8885 -0.0001 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00002FBD00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.0235 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 5.074 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9222070764896303778 20096714 4 18411982476895416888 21015797 1 8501780689002922731 5460574 1 9295292737400110817 5943 1 17402831978854929838 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 84.19 2.54 0.88 0.63 0.12 0.05 0 -0.66 0 0.16 0 0.02 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 135.747 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 59.1 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 5 1 -0.29 2 0.49 3 -0.2 4 -0.18 7 0.18 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 1 1 4 hydrophobe 4 0 0 0 0 0 0 0 1 1